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16496-09-6 | Benzene, 1,2,3,4,5-pentafluoro-6-(phenylthio)-
CAS No: 16496-09-6 Catalog No: AG001V6L MDL No:
Product Description
Catalog Number:
AG001V6L
Chemical Name:
Benzene, 1,2,3,4,5-pentafluoro-6-(phenylthio)-
CAS Number:
16496-09-6
Molecular Formula:
C12H5F5S
Molecular Weight:
276.2251
IUPAC Name:
1,2,3,4,5-pentafluoro-6-phenylsulfanylbenzene
InChI:
InChI=1S/C12H5F5S/c13-7-8(14)10(16)12(11(17)9(7)15)18-6-4-2-1-3-5-6/h1-5H
InChI Key:
ZAKAIWKTQRQYCF-UHFFFAOYSA-N
SMILES:
Fc1c(Sc2ccccc2)c(F)c(c(c1F)F)F
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.003g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.224g/mol
Monoisotopic Mass:
276.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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